data_25182 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25182 _Entry.Title ; Backbone chemical shift assignment of FG-NUP (274 -399) under in-cell condition. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-08-29 _Entry.Accession_date 2014-08-29 _Entry.Last_release_date 2015-10-08 _Entry.Original_release_date 2015-10-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kaushik Dutta . . . 25182 2 David Cowburn . . . 25182 3 Michael Rout . . . 25182 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'New York Structural Biology Center' . 25182 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25182 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 350 25182 '15N chemical shifts' 109 25182 '1H chemical shifts' 109 25182 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-10-08 . original BMRB . 25182 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25183 FSFG-K-6His 25182 BMRB 25184 FG-N 25182 BMRB 25185 FG-N-6His 25182 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25182 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Atomic Scale Dynamic Behavior of the Nuclear Transport Selectivity Barrier ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Loren Hough . . . 25182 1 2 Kaushik Dutta . . . 25182 1 3 Sam Sparks . . . 25182 1 4 Deniz Temel . B. . 25182 1 5 Alia Kamal . . . 25182 1 6 Jaclyn Tetenbaum-Novatt . . . 25182 1 7 Michael Rout . . . 25182 1 8 David Cowburn . . . 25182 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'In cell NMR' 25182 1 'Nuclear Pore Complexes' 25182 1 'Transport factor' 25182 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25182 _Assembly.ID 1 _Assembly.Name FSFG-K _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25182 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25182 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FSFG-K _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDNKTTNTTPSFSFGAKSDE NKAGATSKPAFSFGAKPEEK KDDNSSKPAFSFGAKSNEDK QDGTAKPAFSFGAKPAEKNN NETSKPAFSFGAKSDEKKDG DASKPAFSFGAKPDENKASA TSKPA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'first residue starts at 274-397' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 25183 . FSFG-K-6His . . . . . 100.00 133 100.00 100.00 4.70e-74 . . . . 25182 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Transport Factor' 25182 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 25182 1 2 274 ASP . 25182 1 3 275 ASN . 25182 1 4 276 LYS . 25182 1 5 277 THR . 25182 1 6 278 THR . 25182 1 7 279 ASN . 25182 1 8 280 THR . 25182 1 9 281 THR . 25182 1 10 282 PRO . 25182 1 11 283 SER . 25182 1 12 284 PHE . 25182 1 13 285 SER . 25182 1 14 286 PHE . 25182 1 15 287 GLY . 25182 1 16 288 ALA . 25182 1 17 289 LYS . 25182 1 18 290 SER . 25182 1 19 291 ASP . 25182 1 20 292 GLU . 25182 1 21 293 ASN . 25182 1 22 294 LYS . 25182 1 23 295 ALA . 25182 1 24 296 GLY . 25182 1 25 297 ALA . 25182 1 26 298 THR . 25182 1 27 299 SER . 25182 1 28 300 LYS . 25182 1 29 301 PRO . 25182 1 30 302 ALA . 25182 1 31 303 PHE . 25182 1 32 304 SER . 25182 1 33 305 PHE . 25182 1 34 306 GLY . 25182 1 35 307 ALA . 25182 1 36 308 LYS . 25182 1 37 309 PRO . 25182 1 38 310 GLU . 25182 1 39 311 GLU . 25182 1 40 312 LYS . 25182 1 41 313 LYS . 25182 1 42 314 ASP . 25182 1 43 315 ASP . 25182 1 44 316 ASN . 25182 1 45 317 SER . 25182 1 46 318 SER . 25182 1 47 319 LYS . 25182 1 48 320 PRO . 25182 1 49 321 ALA . 25182 1 50 322 PHE . 25182 1 51 323 SER . 25182 1 52 324 PHE . 25182 1 53 325 GLY . 25182 1 54 326 ALA . 25182 1 55 327 LYS . 25182 1 56 328 SER . 25182 1 57 329 ASN . 25182 1 58 330 GLU . 25182 1 59 331 ASP . 25182 1 60 332 LYS . 25182 1 61 333 GLN . 25182 1 62 334 ASP . 25182 1 63 335 GLY . 25182 1 64 336 THR . 25182 1 65 337 ALA . 25182 1 66 338 LYS . 25182 1 67 339 PRO . 25182 1 68 340 ALA . 25182 1 69 341 PHE . 25182 1 70 342 SER . 25182 1 71 343 PHE . 25182 1 72 344 GLY . 25182 1 73 345 ALA . 25182 1 74 346 LYS . 25182 1 75 347 PRO . 25182 1 76 348 ALA . 25182 1 77 349 GLU . 25182 1 78 350 LYS . 25182 1 79 351 ASN . 25182 1 80 352 ASN . 25182 1 81 353 ASN . 25182 1 82 354 GLU . 25182 1 83 355 THR . 25182 1 84 356 SER . 25182 1 85 357 LYS . 25182 1 86 358 PRO . 25182 1 87 359 ALA . 25182 1 88 360 PHE . 25182 1 89 361 SER . 25182 1 90 362 PHE . 25182 1 91 363 GLY . 25182 1 92 364 ALA . 25182 1 93 365 LYS . 25182 1 94 366 SER . 25182 1 95 367 ASP . 25182 1 96 368 GLU . 25182 1 97 369 LYS . 25182 1 98 370 LYS . 25182 1 99 371 ASP . 25182 1 100 372 GLY . 25182 1 101 373 ASP . 25182 1 102 374 ALA . 25182 1 103 375 SER . 25182 1 104 376 LYS . 25182 1 105 377 PRO . 25182 1 106 378 ALA . 25182 1 107 379 PHE . 25182 1 108 380 SER . 25182 1 109 381 PHE . 25182 1 110 382 GLY . 25182 1 111 383 ALA . 25182 1 112 384 LYS . 25182 1 113 385 PRO . 25182 1 114 386 ASP . 25182 1 115 387 GLU . 25182 1 116 388 ASN . 25182 1 117 389 LYS . 25182 1 118 390 ALA . 25182 1 119 391 SER . 25182 1 120 392 ALA . 25182 1 121 393 THR . 25182 1 122 394 SER . 25182 1 123 395 LYS . 25182 1 124 396 PRO . 25182 1 125 397 ALA . 25182 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25182 1 . ASP 2 2 25182 1 . ASN 3 3 25182 1 . LYS 4 4 25182 1 . THR 5 5 25182 1 . THR 6 6 25182 1 . ASN 7 7 25182 1 . THR 8 8 25182 1 . THR 9 9 25182 1 . PRO 10 10 25182 1 . SER 11 11 25182 1 . PHE 12 12 25182 1 . SER 13 13 25182 1 . PHE 14 14 25182 1 . GLY 15 15 25182 1 . ALA 16 16 25182 1 . LYS 17 17 25182 1 . SER 18 18 25182 1 . ASP 19 19 25182 1 . GLU 20 20 25182 1 . ASN 21 21 25182 1 . LYS 22 22 25182 1 . ALA 23 23 25182 1 . GLY 24 24 25182 1 . ALA 25 25 25182 1 . THR 26 26 25182 1 . SER 27 27 25182 1 . LYS 28 28 25182 1 . PRO 29 29 25182 1 . ALA 30 30 25182 1 . PHE 31 31 25182 1 . SER 32 32 25182 1 . PHE 33 33 25182 1 . GLY 34 34 25182 1 . ALA 35 35 25182 1 . LYS 36 36 25182 1 . PRO 37 37 25182 1 . GLU 38 38 25182 1 . GLU 39 39 25182 1 . LYS 40 40 25182 1 . LYS 41 41 25182 1 . ASP 42 42 25182 1 . ASP 43 43 25182 1 . ASN 44 44 25182 1 . SER 45 45 25182 1 . SER 46 46 25182 1 . LYS 47 47 25182 1 . PRO 48 48 25182 1 . ALA 49 49 25182 1 . PHE 50 50 25182 1 . SER 51 51 25182 1 . PHE 52 52 25182 1 . GLY 53 53 25182 1 . ALA 54 54 25182 1 . LYS 55 55 25182 1 . SER 56 56 25182 1 . ASN 57 57 25182 1 . GLU 58 58 25182 1 . ASP 59 59 25182 1 . LYS 60 60 25182 1 . GLN 61 61 25182 1 . ASP 62 62 25182 1 . GLY 63 63 25182 1 . THR 64 64 25182 1 . ALA 65 65 25182 1 . LYS 66 66 25182 1 . PRO 67 67 25182 1 . ALA 68 68 25182 1 . PHE 69 69 25182 1 . SER 70 70 25182 1 . PHE 71 71 25182 1 . GLY 72 72 25182 1 . ALA 73 73 25182 1 . LYS 74 74 25182 1 . PRO 75 75 25182 1 . ALA 76 76 25182 1 . GLU 77 77 25182 1 . LYS 78 78 25182 1 . ASN 79 79 25182 1 . ASN 80 80 25182 1 . ASN 81 81 25182 1 . GLU 82 82 25182 1 . THR 83 83 25182 1 . SER 84 84 25182 1 . LYS 85 85 25182 1 . PRO 86 86 25182 1 . ALA 87 87 25182 1 . PHE 88 88 25182 1 . SER 89 89 25182 1 . PHE 90 90 25182 1 . GLY 91 91 25182 1 . ALA 92 92 25182 1 . LYS 93 93 25182 1 . SER 94 94 25182 1 . ASP 95 95 25182 1 . GLU 96 96 25182 1 . LYS 97 97 25182 1 . LYS 98 98 25182 1 . ASP 99 99 25182 1 . GLY 100 100 25182 1 . ASP 101 101 25182 1 . ALA 102 102 25182 1 . SER 103 103 25182 1 . LYS 104 104 25182 1 . PRO 105 105 25182 1 . ALA 106 106 25182 1 . PHE 107 107 25182 1 . SER 108 108 25182 1 . PHE 109 109 25182 1 . GLY 110 110 25182 1 . ALA 111 111 25182 1 . LYS 112 112 25182 1 . PRO 113 113 25182 1 . ASP 114 114 25182 1 . GLU 115 115 25182 1 . ASN 116 116 25182 1 . LYS 117 117 25182 1 . ALA 118 118 25182 1 . SER 119 119 25182 1 . ALA 120 120 25182 1 . THR 121 121 25182 1 . SER 122 122 25182 1 . LYS 123 123 25182 1 . PRO 124 124 25182 1 . ALA 125 125 25182 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25182 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 25182 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25182 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3) Gold Cells' . . . . . pRSF . . . 25182 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25182 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'In cell NMR' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FSFG-K '[U-100% 15N]' . . 1 $entity . . 500 . . uM . . . . 25182 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25182 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25182 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25182 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'In cell NMR' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FSFG-K '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 500 . . uM . . . . 25182 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25182 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25182 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25182 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 25182 1 pH 7.3 . pH 25182 1 pressure 1 . atm 25182 1 temperature 298 . K 25182 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25182 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 25182 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25182 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25182 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25182 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25182 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25182 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 25182 1 2 spectrometer_2 Bruker Avance . 800 . . . 25182 1 3 spectrometer_3 Bruker Avance . 900 . . . 25182 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25182 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25182 1 2 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25182 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25182 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25182 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25182 1 6 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25182 1 7 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25182 1 8 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25182 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25182 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm . internal indirect 0.251449530 . . . . . . . . . 25182 1 H 1 water protons . . . . ppm . internal direct 1.000000000 . . . . . . . . . 25182 1 N 15 water protons . . . . ppm . internal indirect 0.101329118 . . . . . . . . . 25182 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25182 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.001 _Assigned_chem_shift_list.Chem_shift_13C_err 0.16 _Assigned_chem_shift_list.Chem_shift_15N_err 0.03 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25182 1 2 '3D HNCO' . . . 25182 1 3 '3D CBCA(CO)NH' . . . 25182 1 4 '3D HNCA' . . . 25182 1 5 '3D HNCACB' . . . 25182 1 7 '3D HN(CA)CO' . . . 25182 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRView . . 25182 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASP C C 13 175.3965 0.16 . 1 . . . . 274 ASP C . 25182 1 2 . 1 1 2 2 ASP CA C 13 54.2312 0.16 . 1 . . . . 274 ASP CA . 25182 1 3 . 1 1 2 2 ASP CB C 13 41.3038 0.16 . 1 . . . . 274 ASP CB . 25182 1 4 . 1 1 3 3 ASN H H 1 8.5391 0.001 . 1 . . . . 275 ASN H . 25182 1 5 . 1 1 3 3 ASN C C 13 175.2523 0.16 . 1 . . . . 275 ASN C . 25182 1 6 . 1 1 3 3 ASN CA C 13 53.3166 0.16 . 1 . . . . 275 ASN CA . 25182 1 7 . 1 1 3 3 ASN CB C 13 38.6397 0.16 . 1 . . . . 275 ASN CB . 25182 1 8 . 1 1 3 3 ASN N N 15 120.0926 0.03 . 1 . . . . 275 ASN N . 25182 1 9 . 1 1 4 4 LYS H H 1 8.3854 0.001 . 1 . . . . 276 LYS H . 25182 1 10 . 1 1 4 4 LYS C C 13 176.8925 0.16 . 1 . . . . 276 LYS C . 25182 1 11 . 1 1 4 4 LYS CA C 13 56.5676 0.16 . 1 . . . . 276 LYS CA . 25182 1 12 . 1 1 4 4 LYS CB C 13 32.6847 0.16 . 1 . . . . 276 LYS CB . 25182 1 13 . 1 1 4 4 LYS N N 15 121.5253 0.03 . 1 . . . . 276 LYS N . 25182 1 14 . 1 1 5 5 THR H H 1 8.1953 0.001 . 1 . . . . 277 THR H . 25182 1 15 . 1 1 5 5 THR C C 13 174.6963 0.16 . 1 . . . . 277 THR C . 25182 1 16 . 1 1 5 5 THR CA C 13 61.9684 0.16 . 1 . . . . 277 THR CA . 25182 1 17 . 1 1 5 5 THR CB C 13 69.7266 0.16 . 1 . . . . 277 THR CB . 25182 1 18 . 1 1 5 5 THR N N 15 115.0258 0.03 . 1 . . . . 277 THR N . 25182 1 19 . 1 1 6 6 THR H H 1 8.1326 0.001 . 1 . . . . 278 THR H . 25182 1 20 . 1 1 6 6 THR C C 13 174.1422 0.16 . 1 . . . . 278 THR C . 25182 1 21 . 1 1 6 6 THR CA C 13 61.7436 0.16 . 1 . . . . 278 THR CA . 25182 1 22 . 1 1 6 6 THR CB C 13 69.6374 0.16 . 1 . . . . 278 THR CB . 25182 1 23 . 1 1 6 6 THR N N 15 116.1389 0.03 . 1 . . . . 278 THR N . 25182 1 24 . 1 1 7 7 ASN H H 1 8.4609 0.001 . 1 . . . . 279 ASN H . 25182 1 25 . 1 1 7 7 ASN C C 13 175.2124 0.16 . 1 . . . . 279 ASN C . 25182 1 26 . 1 1 7 7 ASN CA C 13 53.204 0.16 . 1 . . . . 279 ASN CA . 25182 1 27 . 1 1 7 7 ASN CB C 13 38.8331 0.16 . 1 . . . . 279 ASN CB . 25182 1 28 . 1 1 7 7 ASN N N 15 121.4587 0.03 . 1 . . . . 279 ASN N . 25182 1 29 . 1 1 8 8 THR H H 1 8.1476 0.001 . 1 . . . . 280 THR H . 25182 1 30 . 1 1 8 8 THR C C 13 174.4168 0.16 . 1 . . . . 280 THR C . 25182 1 31 . 1 1 8 8 THR CA C 13 61.6572 0.16 . 1 . . . . 280 THR CA . 25182 1 32 . 1 1 8 8 THR CB C 13 69.7295 0.16 . 1 . . . . 280 THR CB . 25182 1 33 . 1 1 8 8 THR N N 15 114.4276 0.03 . 1 . . . . 280 THR N . 25182 1 34 . 1 1 9 9 THR H H 1 8.1967 0.001 . 1 . . . . 281 THR H . 25182 1 35 . 1 1 9 9 THR C C 13 172.7307 0.16 . 1 . . . . 281 THR C . 25182 1 36 . 1 1 9 9 THR CA C 13 60.1123 0.16 . 1 . . . . 281 THR CA . 25182 1 37 . 1 1 9 9 THR CB C 13 69.5862 0.16 . 1 . . . . 281 THR CB . 25182 1 38 . 1 1 9 9 THR N N 15 119.3699 0.03 . 1 . . . . 281 THR N . 25182 1 39 . 1 1 10 10 PRO C C 13 176.6698 0.16 . 1 . . . . 282 PRO C . 25182 1 40 . 1 1 10 10 PRO CA C 13 63.247 0.16 . 1 . . . . 282 PRO CA . 25182 1 41 . 1 1 10 10 PRO CB C 13 32.1829 0.16 . 1 . . . . 282 PRO CB . 25182 1 42 . 1 1 11 11 SER H H 1 8.2732 0.001 . 1 . . . . 283 SER H . 25182 1 43 . 1 1 11 11 SER C C 13 174.1156 0.16 . 1 . . . . 283 SER C . 25182 1 44 . 1 1 11 11 SER CA C 13 58.1627 0.16 . 1 . . . . 283 SER CA . 25182 1 45 . 1 1 11 11 SER CB C 13 63.6495 0.16 . 1 . . . . 283 SER CB . 25182 1 46 . 1 1 11 11 SER N N 15 115.9159 0.03 . 1 . . . . 283 SER N . 25182 1 47 . 1 1 12 12 PHE H H 1 8.1286 0.001 . 1 . . . . 284 PHE H . 25182 1 48 . 1 1 12 12 PHE N N 15 121.9634 0.03 . 1 . . . . 284 PHE N . 25182 1 49 . 1 1 14 14 PHE H H 1 8.159 0.001 . 1 . . . . 286 PHE H . 25182 1 50 . 1 1 14 14 PHE C C 13 176.151 0.16 . 1 . . . . 286 PHE C . 25182 1 51 . 1 1 14 14 PHE CA C 13 58.153 0.16 . 1 . . . . 286 PHE CA . 25182 1 52 . 1 1 14 14 PHE CB C 13 39.4 0.16 . 1 . . . . 286 PHE CB . 25182 1 53 . 1 1 14 14 PHE N N 15 122.362 0.03 . 1 . . . . 286 PHE N . 25182 1 54 . 1 1 15 15 GLY H H 1 8.287 0.001 . 1 . . . . 287 GLY H . 25182 1 55 . 1 1 15 15 GLY C C 13 173.648 0.16 . 1 . . . . 287 GLY C . 25182 1 56 . 1 1 15 15 GLY CA C 13 45.099 0.16 . 1 . . . . 287 GLY CA . 25182 1 57 . 1 1 15 15 GLY N N 15 110.495 0.03 . 1 . . . . 287 GLY N . 25182 1 58 . 1 1 16 16 ALA H H 1 8.059 0.001 . 1 . . . . 288 ALA H . 25182 1 59 . 1 1 16 16 ALA C C 13 177.8225 0.16 . 1 . . . . 288 ALA C . 25182 1 60 . 1 1 16 16 ALA CA C 13 52.4039 0.16 . 1 . . . . 288 ALA CA . 25182 1 61 . 1 1 16 16 ALA CB C 13 19.2708 0.16 . 1 . . . . 288 ALA CB . 25182 1 62 . 1 1 16 16 ALA N N 15 123.868 0.03 . 1 . . . . 288 ALA N . 25182 1 63 . 1 1 17 17 LYS H H 1 8.338 0.001 . 1 . . . . 289 LYS H . 25182 1 64 . 1 1 17 17 LYS C C 13 176.7969 0.16 . 1 . . . . 289 LYS C . 25182 1 65 . 1 1 17 17 LYS CA C 13 56.1629 0.16 . 1 . . . . 289 LYS CA . 25182 1 66 . 1 1 17 17 LYS CB C 13 32.9215 0.16 . 1 . . . . 289 LYS CB . 25182 1 67 . 1 1 17 17 LYS N N 15 120.7237 0.03 . 1 . . . . 289 LYS N . 25182 1 68 . 1 1 18 18 SER H H 1 8.3184 0.001 . 1 . . . . 290 SER H . 25182 1 69 . 1 1 18 18 SER C C 13 174.3349 0.16 . 1 . . . . 290 SER C . 25182 1 70 . 1 1 18 18 SER CA C 13 58.5361 0.16 . 1 . . . . 290 SER CA . 25182 1 71 . 1 1 18 18 SER CB C 13 63.8165 0.16 . 1 . . . . 290 SER CB . 25182 1 72 . 1 1 18 18 SER N N 15 117.0219 0.03 . 1 . . . . 290 SER N . 25182 1 73 . 1 1 19 19 ASP H H 1 8.368 0.001 . 1 . . . . 291 ASP H . 25182 1 74 . 1 1 19 19 ASP C C 13 176.4631 0.16 . 1 . . . . 291 ASP C . 25182 1 75 . 1 1 19 19 ASP CA C 13 54.2473 0.16 . 1 . . . . 291 ASP CA . 25182 1 76 . 1 1 19 19 ASP CB C 13 40.7679 0.16 . 1 . . . . 291 ASP CB . 25182 1 77 . 1 1 19 19 ASP N N 15 122.3717 0.03 . 1 . . . . 291 ASP N . 25182 1 78 . 1 1 20 20 GLU H H 1 8.2978 0.001 . 1 . . . . 292 GLU H . 25182 1 79 . 1 1 20 20 GLU C C 13 176.3165 0.16 . 1 . . . . 292 GLU C . 25182 1 80 . 1 1 20 20 GLU CA C 13 56.7844 0.16 . 1 . . . . 292 GLU CA . 25182 1 81 . 1 1 20 20 GLU CB C 13 30.1444 0.16 . 1 . . . . 292 GLU CB . 25182 1 82 . 1 1 20 20 GLU N N 15 121.7636 0.03 . 1 . . . . 292 GLU N . 25182 1 83 . 1 1 21 21 ASN H H 1 8.4651 0.001 . 1 . . . . 293 ASN H . 25182 1 84 . 1 1 21 21 ASN C C 13 175.3096 0.16 . 1 . . . . 293 ASN C . 25182 1 85 . 1 1 21 21 ASN CA C 13 53.4464 0.16 . 1 . . . . 293 ASN CA . 25182 1 86 . 1 1 21 21 ASN CB C 13 38.5597 0.16 . 1 . . . . 293 ASN CB . 25182 1 87 . 1 1 21 21 ASN N N 15 119.4848 0.03 . 1 . . . . 293 ASN N . 25182 1 88 . 1 1 22 22 LYS H H 1 8.1506 0.001 . 1 . . . . 294 LYS H . 25182 1 89 . 1 1 22 22 LYS C C 13 176.4687 0.16 . 1 . . . . 294 LYS C . 25182 1 90 . 1 1 22 22 LYS CA C 13 56.408 0.16 . 1 . . . . 294 LYS CA . 25182 1 91 . 1 1 22 22 LYS CB C 13 32.8146 0.16 . 1 . . . . 294 LYS CB . 25182 1 92 . 1 1 22 22 LYS N N 15 121.8611 0.03 . 1 . . . . 294 LYS N . 25182 1 93 . 1 1 23 23 ALA H H 1 8.2626 0.001 . 1 . . . . 295 ALA H . 25182 1 94 . 1 1 23 23 ALA C C 13 178.2653 0.16 . 1 . . . . 295 ALA C . 25182 1 95 . 1 1 23 23 ALA CA C 13 52.7188 0.16 . 1 . . . . 295 ALA CA . 25182 1 96 . 1 1 23 23 ALA CB C 13 19.006 0.16 . 1 . . . . 295 ALA CB . 25182 1 97 . 1 1 23 23 ALA N N 15 124.7364 0.03 . 1 . . . . 295 ALA N . 25182 1 98 . 1 1 24 24 GLY H H 1 8.276 0.001 . 1 . . . . 296 GLY H . 25182 1 99 . 1 1 24 24 GLY C C 13 174.0569 0.16 . 1 . . . . 296 GLY C . 25182 1 100 . 1 1 24 24 GLY CA C 13 45.1731 0.16 . 1 . . . . 296 GLY CA . 25182 1 101 . 1 1 24 24 GLY N N 15 108.2443 0.03 . 1 . . . . 296 GLY N . 25182 1 102 . 1 1 25 25 ALA H H 1 8.1088 0.001 . 1 . . . . 297 ALA H . 25182 1 103 . 1 1 25 25 ALA C C 13 178.0704 0.16 . 1 . . . . 297 ALA C . 25182 1 104 . 1 1 25 25 ALA CA C 13 52.6566 0.16 . 1 . . . . 297 ALA CA . 25182 1 105 . 1 1 25 25 ALA CB C 13 19.3373 0.16 . 1 . . . . 297 ALA CB . 25182 1 106 . 1 1 25 25 ALA N N 15 123.7628 0.03 . 1 . . . . 297 ALA N . 25182 1 107 . 1 1 26 26 THR H H 1 8.1317 0.001 . 1 . . . . 298 THR H . 25182 1 108 . 1 1 26 26 THR C C 13 174.5035 0.16 . 1 . . . . 298 THR C . 25182 1 109 . 1 1 26 26 THR CA C 13 61.7038 0.16 . 1 . . . . 298 THR CA . 25182 1 110 . 1 1 26 26 THR CB C 13 69.6907 0.16 . 1 . . . . 298 THR CB . 25182 1 111 . 1 1 26 26 THR N N 15 112.7637 0.03 . 1 . . . . 298 THR N . 25182 1 112 . 1 1 27 27 SER H H 1 8.1725 0.001 . 1 . . . . 299 SER H . 25182 1 113 . 1 1 27 27 SER C C 13 173.8283 0.16 . 1 . . . . 299 SER C . 25182 1 114 . 1 1 27 27 SER CA C 13 58.1752 0.16 . 1 . . . . 299 SER CA . 25182 1 115 . 1 1 27 27 SER CB C 13 63.8929 0.16 . 1 . . . . 299 SER CB . 25182 1 116 . 1 1 27 27 SER N N 15 118.3313 0.03 . 1 . . . . 299 SER N . 25182 1 117 . 1 1 28 28 LYS H H 1 8.2584 0.001 . 1 . . . . 300 LYS H . 25182 1 118 . 1 1 28 28 LYS C C 13 174.2996 0.16 . 1 . . . . 300 LYS C . 25182 1 119 . 1 1 28 28 LYS CA C 13 54.1168 0.16 . 1 . . . . 300 LYS CA . 25182 1 120 . 1 1 28 28 LYS CB C 13 32.597 0.16 . 1 . . . . 300 LYS CB . 25182 1 121 . 1 1 28 28 LYS N N 15 124.3893 0.03 . 1 . . . . 300 LYS N . 25182 1 122 . 1 1 29 29 PRO C C 13 176.519 0.16 . 1 . . . . 301 PRO C . 25182 1 123 . 1 1 29 29 PRO CA C 13 63.033 0.16 . 1 . . . . 301 PRO CA . 25182 1 124 . 1 1 29 29 PRO CB C 13 32.061 0.16 . 1 . . . . 301 PRO CB . 25182 1 125 . 1 1 30 30 ALA H H 1 8.333 0.001 . 1 . . . . 302 ALA H . 25182 1 126 . 1 1 30 30 ALA C C 13 177.329 0.16 . 1 . . . . 302 ALA C . 25182 1 127 . 1 1 30 30 ALA CA C 13 52.431 0.16 . 1 . . . . 302 ALA CA . 25182 1 128 . 1 1 30 30 ALA CB C 13 19.194 0.16 . 1 . . . . 302 ALA CB . 25182 1 129 . 1 1 30 30 ALA N N 15 124.287 0.03 . 1 . . . . 302 ALA N . 25182 1 130 . 1 1 31 31 PHE H H 1 8.042 0.001 . 1 . . . . 303 PHE H . 25182 1 131 . 1 1 31 31 PHE C C 13 175.434 0.16 . 1 . . . . 303 PHE C . 25182 1 132 . 1 1 31 31 PHE CA C 13 57.448 0.16 . 1 . . . . 303 PHE CA . 25182 1 133 . 1 1 31 31 PHE CB C 13 39.695 0.16 . 1 . . . . 303 PHE CB . 25182 1 134 . 1 1 31 31 PHE N N 15 118.762 0.03 . 1 . . . . 303 PHE N . 25182 1 135 . 1 1 32 32 SER H H 1 8.01 0.001 . 1 . . . . 304 SER H . 25182 1 136 . 1 1 32 32 SER C C 13 173.83 0.16 . 1 . . . . 304 SER C . 25182 1 137 . 1 1 32 32 SER CA C 13 57.753 0.16 . 1 . . . . 304 SER CA . 25182 1 138 . 1 1 32 32 SER CB C 13 63.68 0.16 . 1 . . . . 304 SER CB . 25182 1 139 . 1 1 32 32 SER N N 15 117.394 0.03 . 1 . . . . 304 SER N . 25182 1 140 . 1 1 33 33 PHE H H 1 8.159 0.001 . 1 . . . . 305 PHE H . 25182 1 141 . 1 1 33 33 PHE C C 13 176.151 0.16 . 1 . . . . 305 PHE C . 25182 1 142 . 1 1 33 33 PHE CA C 13 58.153 0.16 . 1 . . . . 305 PHE CA . 25182 1 143 . 1 1 33 33 PHE CB C 13 39.4 0.16 . 1 . . . . 305 PHE CB . 25182 1 144 . 1 1 33 33 PHE N N 15 122.362 0.03 . 1 . . . . 305 PHE N . 25182 1 145 . 1 1 34 34 GLY H H 1 8.287 0.001 . 1 . . . . 306 GLY H . 25182 1 146 . 1 1 34 34 GLY C C 13 173.4508 0.16 . 1 . . . . 306 GLY C . 25182 1 147 . 1 1 34 34 GLY CA C 13 45.028 0.16 . 1 . . . . 306 GLY CA . 25182 1 148 . 1 1 34 34 GLY N N 15 110.495 0.03 . 1 . . . . 306 GLY N . 25182 1 149 . 1 1 35 35 ALA H H 1 7.9936 0.001 . 1 . . . . 307 ALA H . 25182 1 150 . 1 1 35 35 ALA C C 13 177.3836 0.16 . 1 . . . . 307 ALA C . 25182 1 151 . 1 1 35 35 ALA CA C 13 52.1545 0.16 . 1 . . . . 307 ALA CA . 25182 1 152 . 1 1 35 35 ALA CB C 13 19.4672 0.16 . 1 . . . . 307 ALA CB . 25182 1 153 . 1 1 35 35 ALA N N 15 123.676 0.03 . 1 . . . . 307 ALA N . 25182 1 154 . 1 1 36 36 LYS H H 1 8.3206 0.001 . 1 . . . . 308 LYS H . 25182 1 155 . 1 1 36 36 LYS C C 13 174.7496 0.16 . 1 . . . . 308 LYS C . 25182 1 156 . 1 1 36 36 LYS CA C 13 54.1469 0.16 . 1 . . . . 308 LYS CA . 25182 1 157 . 1 1 36 36 LYS CB C 13 32.5501 0.16 . 1 . . . . 308 LYS CB . 25182 1 158 . 1 1 36 36 LYS N N 15 122.0911 0.03 . 1 . . . . 308 LYS N . 25182 1 159 . 1 1 37 37 PRO C C 13 176.9451 0.16 . 1 . . . . 309 PRO C . 25182 1 160 . 1 1 37 37 PRO CA C 13 63.3293 0.16 . 1 . . . . 309 PRO CA . 25182 1 161 . 1 1 37 37 PRO CB C 13 32.0325 0.16 . 1 . . . . 309 PRO CB . 25182 1 162 . 1 1 38 38 GLU H H 1 8.5722 0.001 . 1 . . . . 310 GLU H . 25182 1 163 . 1 1 38 38 GLU C C 13 176.4069 0.16 . 1 . . . . 310 GLU C . 25182 1 164 . 1 1 38 38 GLU CA C 13 56.2872 0.16 . 1 . . . . 310 GLU CA . 25182 1 165 . 1 1 38 38 GLU CB C 13 30.1192 0.16 . 1 . . . . 310 GLU CB . 25182 1 166 . 1 1 38 38 GLU N N 15 120.9955 0.03 . 1 . . . . 310 GLU N . 25182 1 167 . 1 1 39 39 GLU H H 1 8.3529 0.001 . 1 . . . . 311 GLU H . 25182 1 168 . 1 1 39 39 GLU C C 13 176.1072 0.16 . 1 . . . . 311 GLU C . 25182 1 169 . 1 1 39 39 GLU CA C 13 56.1603 0.16 . 1 . . . . 311 GLU CA . 25182 1 170 . 1 1 39 39 GLU CB C 13 30.3413 0.16 . 1 . . . . 311 GLU CB . 25182 1 171 . 1 1 39 39 GLU N N 15 122.718 0.03 . 1 . . . . 311 GLU N . 25182 1 172 . 1 1 40 40 LYS H H 1 8.3317 0.001 . 1 . . . . 312 LYS H . 25182 1 173 . 1 1 40 40 LYS C C 13 176.2757 0.16 . 1 . . . . 312 LYS C . 25182 1 174 . 1 1 40 40 LYS CA C 13 56.057 0.16 . 1 . . . . 312 LYS CA . 25182 1 175 . 1 1 40 40 LYS CB C 13 32.8793 0.16 . 1 . . . . 312 LYS CB . 25182 1 176 . 1 1 40 40 LYS N N 15 123.324 0.03 . 1 . . . . 312 LYS N . 25182 1 177 . 1 1 41 41 LYS H H 1 8.3889 0.001 . 1 . . . . 313 LYS H . 25182 1 178 . 1 1 41 41 LYS C C 13 176.1122 0.16 . 1 . . . . 313 LYS C . 25182 1 179 . 1 1 41 41 LYS CA C 13 56.052 0.16 . 1 . . . . 313 LYS CA . 25182 1 180 . 1 1 41 41 LYS CB C 13 33.1789 0.16 . 1 . . . . 313 LYS CB . 25182 1 181 . 1 1 41 41 LYS N N 15 123.5862 0.03 . 1 . . . . 313 LYS N . 25182 1 182 . 1 1 42 42 ASP H H 1 8.3804 0.001 . 1 . . . . 314 ASP H . 25182 1 183 . 1 1 42 42 ASP C C 13 175.8353 0.16 . 1 . . . . 314 ASP C . 25182 1 184 . 1 1 42 42 ASP CA C 13 54.1813 0.16 . 1 . . . . 314 ASP CA . 25182 1 185 . 1 1 42 42 ASP CB C 13 41.2567 0.16 . 1 . . . . 314 ASP CB . 25182 1 186 . 1 1 42 42 ASP N N 15 121.8019 0.03 . 1 . . . . 314 ASP N . 25182 1 187 . 1 1 43 43 ASP H H 1 8.2854 0.001 . 1 . . . . 315 ASP H . 25182 1 188 . 1 1 43 43 ASP C C 13 176.3165 0.16 . 1 . . . . 315 ASP C . 25182 1 189 . 1 1 43 43 ASP CA C 13 54.2563 0.16 . 1 . . . . 315 ASP CA . 25182 1 190 . 1 1 43 43 ASP CB C 13 41.0502 0.16 . 1 . . . . 315 ASP CB . 25182 1 191 . 1 1 43 43 ASP N N 15 121.3102 0.03 . 1 . . . . 315 ASP N . 25182 1 192 . 1 1 44 44 ASN H H 1 8.4826 0.001 . 1 . . . . 316 ASN H . 25182 1 193 . 1 1 44 44 ASN C C 13 175.6935 0.16 . 1 . . . . 316 ASN C . 25182 1 194 . 1 1 44 44 ASN CA C 13 53.6036 0.16 . 1 . . . . 316 ASN CA . 25182 1 195 . 1 1 44 44 ASN CB C 13 38.7468 0.16 . 1 . . . . 316 ASN CB . 25182 1 196 . 1 1 44 44 ASN N N 15 119.5558 0.03 . 1 . . . . 316 ASN N . 25182 1 197 . 1 1 45 45 SER H H 1 8.2597 0.001 . 1 . . . . 317 SER H . 25182 1 198 . 1 1 45 45 SER C C 13 174.694 0.16 . 1 . . . . 317 SER C . 25182 1 199 . 1 1 45 45 SER CA C 13 58.8259 0.16 . 1 . . . . 317 SER CA . 25182 1 200 . 1 1 45 45 SER CB C 13 63.7328 0.16 . 1 . . . . 317 SER CB . 25182 1 201 . 1 1 45 45 SER N N 15 115.8973 0.03 . 1 . . . . 317 SER N . 25182 1 202 . 1 1 46 46 SER H H 1 8.2216 0.001 . 1 . . . . 318 SER H . 25182 1 203 . 1 1 46 46 SER C C 13 173.9879 0.16 . 1 . . . . 318 SER C . 25182 1 204 . 1 1 46 46 SER CA C 13 58.3436 0.16 . 1 . . . . 318 SER CA . 25182 1 205 . 1 1 46 46 SER CB C 13 63.7385 0.16 . 1 . . . . 318 SER CB . 25182 1 206 . 1 1 46 46 SER N N 15 117.4297 0.03 . 1 . . . . 318 SER N . 25182 1 207 . 1 1 47 47 LYS H H 1 8.0979 0.001 . 1 . . . . 319 LYS H . 25182 1 208 . 1 1 47 47 LYS C C 13 174.2712 0.16 . 1 . . . . 319 LYS C . 25182 1 209 . 1 1 47 47 LYS CA C 13 54.1371 0.16 . 1 . . . . 319 LYS CA . 25182 1 210 . 1 1 47 47 LYS CB C 13 32.3935 0.16 . 1 . . . . 319 LYS CB . 25182 1 211 . 1 1 47 47 LYS N N 15 124.0228 0.03 . 1 . . . . 319 LYS N . 25182 1 212 . 1 1 48 48 PRO C C 13 176.5188 0.16 . 1 . . . . 320 PRO C . 25182 1 213 . 1 1 48 48 PRO CA C 13 63.0334 0.16 . 1 . . . . 320 PRO CA . 25182 1 214 . 1 1 48 48 PRO CB C 13 32.0614 0.16 . 1 . . . . 320 PRO CB . 25182 1 215 . 1 1 49 49 ALA H H 1 8.3327 0.001 . 1 . . . . 321 ALA H . 25182 1 216 . 1 1 49 49 ALA C C 13 177.329 0.16 . 1 . . . . 321 ALA C . 25182 1 217 . 1 1 49 49 ALA CA C 13 52.4306 0.16 . 1 . . . . 321 ALA CA . 25182 1 218 . 1 1 49 49 ALA CB C 13 19.1751 0.16 . 1 . . . . 321 ALA CB . 25182 1 219 . 1 1 49 49 ALA N N 15 124.2874 0.03 . 1 . . . . 321 ALA N . 25182 1 220 . 1 1 50 50 PHE H H 1 8.0417 0.001 . 1 . . . . 322 PHE H . 25182 1 221 . 1 1 50 50 PHE C C 13 175.4336 0.16 . 1 . . . . 322 PHE C . 25182 1 222 . 1 1 50 50 PHE CA C 13 57.4484 0.16 . 1 . . . . 322 PHE CA . 25182 1 223 . 1 1 50 50 PHE CB C 13 39.7201 0.16 . 1 . . . . 322 PHE CB . 25182 1 224 . 1 1 50 50 PHE N N 15 118.7618 0.03 . 1 . . . . 322 PHE N . 25182 1 225 . 1 1 51 51 SER H H 1 8.0104 0.001 . 1 . . . . 323 SER H . 25182 1 226 . 1 1 51 51 SER C C 13 173.8296 0.16 . 1 . . . . 323 SER C . 25182 1 227 . 1 1 51 51 SER CA C 13 57.753 0.16 . 1 . . . . 323 SER CA . 25182 1 228 . 1 1 51 51 SER CB C 13 63.9037 0.16 . 1 . . . . 323 SER CB . 25182 1 229 . 1 1 51 51 SER N N 15 117.3941 0.03 . 1 . . . . 323 SER N . 25182 1 230 . 1 1 52 52 PHE H H 1 8.159 0.001 . 1 . . . . 324 PHE H . 25182 1 231 . 1 1 52 52 PHE C C 13 176.1511 0.16 . 1 . . . . 324 PHE C . 25182 1 232 . 1 1 52 52 PHE CA C 13 58.0601 0.16 . 1 . . . . 324 PHE CA . 25182 1 233 . 1 1 52 52 PHE CB C 13 39.4005 0.16 . 1 . . . . 324 PHE CB . 25182 1 234 . 1 1 52 52 PHE N N 15 122.3625 0.03 . 1 . . . . 324 PHE N . 25182 1 235 . 1 1 53 53 GLY H H 1 8.2873 0.001 . 1 . . . . 325 GLY H . 25182 1 236 . 1 1 53 53 GLY C C 13 173.6481 0.16 . 1 . . . . 325 GLY C . 25182 1 237 . 1 1 53 53 GLY CA C 13 45.0996 0.16 . 1 . . . . 325 GLY CA . 25182 1 238 . 1 1 53 53 GLY N N 15 110.4946 0.03 . 1 . . . . 325 GLY N . 25182 1 239 . 1 1 54 54 ALA H H 1 8.0591 0.001 . 1 . . . . 326 ALA H . 25182 1 240 . 1 1 54 54 ALA C C 13 177.7952 0.16 . 1 . . . . 326 ALA C . 25182 1 241 . 1 1 54 54 ALA CA C 13 52.4346 0.16 . 1 . . . . 326 ALA CA . 25182 1 242 . 1 1 54 54 ALA CB C 13 19.2179 0.16 . 1 . . . . 326 ALA CB . 25182 1 243 . 1 1 54 54 ALA N N 15 123.8685 0.03 . 1 . . . . 326 ALA N . 25182 1 244 . 1 1 55 55 LYS H H 1 8.3263 0.001 . 1 . . . . 327 LYS H . 25182 1 245 . 1 1 55 55 LYS C C 13 176.6908 0.16 . 1 . . . . 327 LYS C . 25182 1 246 . 1 1 55 55 LYS CA C 13 56.1576 0.16 . 1 . . . . 327 LYS CA . 25182 1 247 . 1 1 55 55 LYS CB C 13 32.8795 0.16 . 1 . . . . 327 LYS CB . 25182 1 248 . 1 1 55 55 LYS N N 15 120.5371 0.03 . 1 . . . . 327 LYS N . 25182 1 249 . 1 1 56 56 SER H H 1 8.3392 0.001 . 1 . . . . 328 SER H . 25182 1 250 . 1 1 56 56 SER C C 13 174.4417 0.16 . 1 . . . . 328 SER C . 25182 1 251 . 1 1 56 56 SER CA C 13 58.2764 0.16 . 1 . . . . 328 SER CA . 25182 1 252 . 1 1 56 56 SER CB C 13 63.8944 0.16 . 1 . . . . 328 SER CB . 25182 1 253 . 1 1 56 56 SER N N 15 116.9486 0.03 . 1 . . . . 328 SER N . 25182 1 254 . 1 1 57 57 ASN H H 1 8.4932 0.001 . 1 . . . . 329 ASN H . 25182 1 255 . 1 1 57 57 ASN C C 13 175.3176 0.16 . 1 . . . . 329 ASN C . 25182 1 256 . 1 1 57 57 ASN CA C 13 53.5047 0.16 . 1 . . . . 329 ASN CA . 25182 1 257 . 1 1 57 57 ASN CB C 13 38.7552 0.16 . 1 . . . . 329 ASN CB . 25182 1 258 . 1 1 57 57 ASN N N 15 120.7247 0.03 . 1 . . . . 329 ASN N . 25182 1 259 . 1 1 58 58 GLU H H 1 8.3155 0.001 . 1 . . . . 330 GLU H . 25182 1 260 . 1 1 58 58 GLU C C 13 176.1072 0.16 . 1 . . . . 330 GLU C . 25182 1 261 . 1 1 58 58 GLU CA C 13 56.795 0.16 . 1 . . . . 330 GLU CA . 25182 1 262 . 1 1 58 58 GLU CB C 13 30.3134 0.16 . 1 . . . . 330 GLU CB . 25182 1 263 . 1 1 58 58 GLU N N 15 120.7268 0.03 . 1 . . . . 330 GLU N . 25182 1 264 . 1 1 59 59 ASP H H 1 8.2844 0.001 . 1 . . . . 331 ASP H . 25182 1 265 . 1 1 59 59 ASP C C 13 176.1726 0.16 . 1 . . . . 331 ASP C . 25182 1 266 . 1 1 59 59 ASP CA C 13 54.3632 0.16 . 1 . . . . 331 ASP CA . 25182 1 267 . 1 1 59 59 ASP CB C 13 40.888 0.16 . 1 . . . . 331 ASP CB . 25182 1 268 . 1 1 59 59 ASP N N 15 121.2914 0.03 . 1 . . . . 331 ASP N . 25182 1 269 . 1 1 60 60 LYS H H 1 8.1662 0.001 . 1 . . . . 332 LYS H . 25182 1 270 . 1 1 60 60 LYS C C 13 176.6135 0.16 . 1 . . . . 332 LYS C . 25182 1 271 . 1 1 60 60 LYS CA C 13 56.1949 0.16 . 1 . . . . 332 LYS CA . 25182 1 272 . 1 1 60 60 LYS CB C 13 32.7689 0.16 . 1 . . . . 332 LYS CB . 25182 1 273 . 1 1 60 60 LYS N N 15 121.5738 0.03 . 1 . . . . 332 LYS N . 25182 1 274 . 1 1 61 61 GLN H H 1 8.4037 0.001 . 1 . . . . 333 GLN H . 25182 1 275 . 1 1 61 61 GLN C C 13 175.7361 0.16 . 1 . . . . 333 GLN C . 25182 1 276 . 1 1 61 61 GLN CA C 13 55.9813 0.16 . 1 . . . . 333 GLN CA . 25182 1 277 . 1 1 61 61 GLN CB C 13 29.1412 0.16 . 1 . . . . 333 GLN CB . 25182 1 278 . 1 1 61 61 GLN N N 15 121.1617 0.03 . 1 . . . . 333 GLN N . 25182 1 279 . 1 1 62 62 ASP H H 1 8.3312 0.001 . 1 . . . . 334 ASP H . 25182 1 280 . 1 1 62 62 ASP C C 13 176.8116 0.16 . 1 . . . . 334 ASP C . 25182 1 281 . 1 1 62 62 ASP CA C 13 54.2087 0.16 . 1 . . . . 334 ASP CA . 25182 1 282 . 1 1 62 62 ASP CB C 13 41.1488 0.16 . 1 . . . . 334 ASP CB . 25182 1 283 . 1 1 62 62 ASP N N 15 121.4266 0.03 . 1 . . . . 334 ASP N . 25182 1 284 . 1 1 63 63 GLY H H 1 8.3932 0.001 . 1 . . . . 335 GLY H . 25182 1 285 . 1 1 63 63 GLY C C 13 174.6262 0.16 . 1 . . . . 335 GLY C . 25182 1 286 . 1 1 63 63 GLY CA C 13 45.5812 0.16 . 1 . . . . 335 GLY CA . 25182 1 287 . 1 1 63 63 GLY N N 15 109.6674 0.03 . 1 . . . . 335 GLY N . 25182 1 288 . 1 1 64 64 THR H H 1 8.0572 0.001 . 1 . . . . 336 THR H . 25182 1 289 . 1 1 64 64 THR C C 13 174.3882 0.16 . 1 . . . . 336 THR C . 25182 1 290 . 1 1 64 64 THR CA C 13 62.1084 0.16 . 1 . . . . 336 THR CA . 25182 1 291 . 1 1 64 64 THR CB C 13 69.8698 0.16 . 1 . . . . 336 THR CB . 25182 1 292 . 1 1 64 64 THR N N 15 113.5839 0.03 . 1 . . . . 336 THR N . 25182 1 293 . 1 1 65 65 ALA H H 1 8.2212 0.001 . 1 . . . . 337 ALA H . 25182 1 294 . 1 1 65 65 ALA C C 13 177.235 0.16 . 1 . . . . 337 ALA C . 25182 1 295 . 1 1 65 65 ALA CA C 13 52.3515 0.16 . 1 . . . . 337 ALA CA . 25182 1 296 . 1 1 65 65 ALA CB C 13 19.2015 0.16 . 1 . . . . 337 ALA CB . 25182 1 297 . 1 1 65 65 ALA N N 15 126.4721 0.03 . 1 . . . . 337 ALA N . 25182 1 298 . 1 1 66 66 LYS H H 1 8.2243 0.001 . 1 . . . . 338 LYS H . 25182 1 299 . 1 1 66 66 LYS C C 13 174.4051 0.16 . 1 . . . . 338 LYS C . 25182 1 300 . 1 1 66 66 LYS CA C 13 54.0357 0.16 . 1 . . . . 338 LYS CA . 25182 1 301 . 1 1 66 66 LYS CB C 13 32.3726 0.16 . 1 . . . . 338 LYS CB . 25182 1 302 . 1 1 66 66 LYS N N 15 122.2225 0.03 . 1 . . . . 338 LYS N . 25182 1 303 . 1 1 67 67 PRO C C 13 176.519 0.16 . 1 . . . . 339 PRO C . 25182 1 304 . 1 1 67 67 PRO CA C 13 63.033 0.16 . 1 . . . . 339 PRO CA . 25182 1 305 . 1 1 67 67 PRO CB C 13 32.061 0.16 . 1 . . . . 339 PRO CB . 25182 1 306 . 1 1 68 68 ALA H H 1 8.333 0.001 . 1 . . . . 340 ALA H . 25182 1 307 . 1 1 68 68 ALA C C 13 177.329 0.16 . 1 . . . . 340 ALA C . 25182 1 308 . 1 1 68 68 ALA CA C 13 52.431 0.16 . 1 . . . . 340 ALA CA . 25182 1 309 . 1 1 68 68 ALA CB C 13 19.194 0.16 . 1 . . . . 340 ALA CB . 25182 1 310 . 1 1 68 68 ALA N N 15 124.287 0.03 . 1 . . . . 340 ALA N . 25182 1 311 . 1 1 69 69 PHE H H 1 8.042 0.001 . 1 . . . . 341 PHE H . 25182 1 312 . 1 1 69 69 PHE C C 13 175.434 0.16 . 1 . . . . 341 PHE C . 25182 1 313 . 1 1 69 69 PHE CA C 13 57.448 0.16 . 1 . . . . 341 PHE CA . 25182 1 314 . 1 1 69 69 PHE CB C 13 39.695 0.16 . 1 . . . . 341 PHE CB . 25182 1 315 . 1 1 69 69 PHE N N 15 118.762 0.03 . 1 . . . . 341 PHE N . 25182 1 316 . 1 1 70 70 SER H H 1 8.01 0.001 . 1 . . . . 342 SER H . 25182 1 317 . 1 1 70 70 SER C C 13 173.83 0.16 . 1 . . . . 342 SER C . 25182 1 318 . 1 1 70 70 SER CA C 13 57.753 0.16 . 1 . . . . 342 SER CA . 25182 1 319 . 1 1 70 70 SER CB C 13 63.68 0.16 . 1 . . . . 342 SER CB . 25182 1 320 . 1 1 70 70 SER N N 15 117.394 0.03 . 1 . . . . 342 SER N . 25182 1 321 . 1 1 71 71 PHE H H 1 8.159 0.001 . 1 . . . . 343 PHE H . 25182 1 322 . 1 1 71 71 PHE C C 13 176.151 0.16 . 1 . . . . 343 PHE C . 25182 1 323 . 1 1 71 71 PHE CA C 13 58.153 0.16 . 1 . . . . 343 PHE CA . 25182 1 324 . 1 1 71 71 PHE CB C 13 39.4 0.16 . 1 . . . . 343 PHE CB . 25182 1 325 . 1 1 71 71 PHE N N 15 122.362 0.03 . 1 . . . . 343 PHE N . 25182 1 326 . 1 1 72 72 GLY H H 1 8.287 0.001 . 1 . . . . 344 GLY H . 25182 1 327 . 1 1 72 72 GLY C C 13 173.465 0.16 . 1 . . . . 344 GLY C . 25182 1 328 . 1 1 72 72 GLY CA C 13 45.028 0.16 . 1 . . . . 344 GLY CA . 25182 1 329 . 1 1 72 72 GLY N N 15 110.495 0.03 . 1 . . . . 344 GLY N . 25182 1 330 . 1 1 73 73 ALA H H 1 7.997 0.001 . 1 . . . . 345 ALA H . 25182 1 331 . 1 1 73 73 ALA C C 13 177.384 0.16 . 1 . . . . 345 ALA C . 25182 1 332 . 1 1 73 73 ALA CA C 13 52.155 0.16 . 1 . . . . 345 ALA CA . 25182 1 333 . 1 1 73 73 ALA CB C 13 19.467 0.16 . 1 . . . . 345 ALA CB . 25182 1 334 . 1 1 73 73 ALA N N 15 123.72 0.03 . 1 . . . . 345 ALA N . 25182 1 335 . 1 1 74 74 LYS H H 1 8.318 0.001 . 1 . . . . 346 LYS H . 25182 1 336 . 1 1 74 74 LYS C C 13 174.75 0.16 . 1 . . . . 346 LYS C . 25182 1 337 . 1 1 74 74 LYS CA C 13 54.147 0.16 . 1 . . . . 346 LYS CA . 25182 1 338 . 1 1 74 74 LYS CB C 13 32.55 0.16 . 1 . . . . 346 LYS CB . 25182 1 339 . 1 1 74 74 LYS N N 15 122.092 0.03 . 1 . . . . 346 LYS N . 25182 1 340 . 1 1 75 75 PRO C C 13 176.5971 0.16 . 1 . . . . 347 PRO C . 25182 1 341 . 1 1 75 75 PRO CA C 13 63.1025 0.16 . 1 . . . . 347 PRO CA . 25182 1 342 . 1 1 75 75 PRO CB C 13 32.0423 0.16 . 1 . . . . 347 PRO CB . 25182 1 343 . 1 1 76 76 ALA H H 1 8.3535 0.001 . 1 . . . . 348 ALA H . 25182 1 344 . 1 1 76 76 ALA C C 13 177.7664 0.16 . 1 . . . . 348 ALA C . 25182 1 345 . 1 1 76 76 ALA CA C 13 52.4791 0.16 . 1 . . . . 348 ALA CA . 25182 1 346 . 1 1 76 76 ALA CB C 13 19.3246 0.16 . 1 . . . . 348 ALA CB . 25182 1 347 . 1 1 76 76 ALA N N 15 124.2422 0.03 . 1 . . . . 348 ALA N . 25182 1 348 . 1 1 78 78 LYS C C 13 176.0953 0.16 . 1 . . . . 350 LYS C . 25182 1 349 . 1 1 78 78 LYS CA C 13 56.1512 0.16 . 1 . . . . 350 LYS CA . 25182 1 350 . 1 1 78 78 LYS CB C 13 32.9917 0.16 . 1 . . . . 350 LYS CB . 25182 1 351 . 1 1 79 79 ASN H H 1 8.4641 0.001 . 1 . . . . 351 ASN H . 25182 1 352 . 1 1 79 79 ASN C C 13 174.9119 0.16 . 1 . . . . 351 ASN C . 25182 1 353 . 1 1 79 79 ASN CA C 13 53.0401 0.16 . 1 . . . . 351 ASN CA . 25182 1 354 . 1 1 79 79 ASN CB C 13 38.9007 0.16 . 1 . . . . 351 ASN CB . 25182 1 355 . 1 1 79 79 ASN N N 15 119.897 0.03 . 1 . . . . 351 ASN N . 25182 1 356 . 1 1 80 80 ASN H H 1 8.4454 0.001 . 1 . . . . 352 ASN H . 25182 1 357 . 1 1 80 80 ASN C C 13 175.0025 0.16 . 1 . . . . 352 ASN C . 25182 1 358 . 1 1 80 80 ASN CA C 13 53.3398 0.16 . 1 . . . . 352 ASN CA . 25182 1 359 . 1 1 80 80 ASN CB C 13 38.7379 0.16 . 1 . . . . 352 ASN CB . 25182 1 360 . 1 1 80 80 ASN N N 15 119.7564 0.03 . 1 . . . . 352 ASN N . 25182 1 361 . 1 1 81 81 ASN H H 1 8.447 0.001 . 1 . . . . 353 ASN H . 25182 1 362 . 1 1 81 81 ASN C C 13 175.2999 0.16 . 1 . . . . 353 ASN C . 25182 1 363 . 1 1 81 81 ASN CA C 13 53.4946 0.16 . 1 . . . . 353 ASN CA . 25182 1 364 . 1 1 81 81 ASN CB C 13 38.722 0.16 . 1 . . . . 353 ASN CB . 25182 1 365 . 1 1 81 81 ASN N N 15 118.9931 0.03 . 1 . . . . 353 ASN N . 25182 1 366 . 1 1 82 82 GLU H H 1 8.3328 0.001 . 1 . . . . 354 GLU H . 25182 1 367 . 1 1 82 82 GLU C C 13 176.7675 0.16 . 1 . . . . 354 GLU C . 25182 1 368 . 1 1 82 82 GLU CA C 13 56.8679 0.16 . 1 . . . . 354 GLU CA . 25182 1 369 . 1 1 82 82 GLU CB C 13 30.0589 0.16 . 1 . . . . 354 GLU CB . 25182 1 370 . 1 1 82 82 GLU N N 15 120.8679 0.03 . 1 . . . . 354 GLU N . 25182 1 371 . 1 1 83 83 THR H H 1 8.1422 0.001 . 1 . . . . 355 THR H . 25182 1 372 . 1 1 83 83 THR C C 13 174.5517 0.16 . 1 . . . . 355 THR C . 25182 1 373 . 1 1 83 83 THR CA C 13 61.8026 0.16 . 1 . . . . 355 THR CA . 25182 1 374 . 1 1 83 83 THR CB C 13 69.7307 0.16 . 1 . . . . 355 THR CB . 25182 1 375 . 1 1 83 83 THR N N 15 114.4092 0.03 . 1 . . . . 355 THR N . 25182 1 376 . 1 1 84 84 SER H H 1 8.2175 0.001 . 1 . . . . 356 SER H . 25182 1 377 . 1 1 84 84 SER C C 13 173.925 0.16 . 1 . . . . 356 SER C . 25182 1 378 . 1 1 84 84 SER CA C 13 58.2852 0.16 . 1 . . . . 356 SER CA . 25182 1 379 . 1 1 84 84 SER CB C 13 63.8187 0.16 . 1 . . . . 356 SER CB . 25182 1 380 . 1 1 84 84 SER N N 15 118.2826 0.03 . 1 . . . . 356 SER N . 25182 1 381 . 1 1 85 85 LYS H H 1 8.2097 0.001 . 1 . . . . 357 LYS H . 25182 1 382 . 1 1 85 85 LYS C C 13 174.2897 0.16 . 1 . . . . 357 LYS C . 25182 1 383 . 1 1 85 85 LYS CA C 13 54.1521 0.16 . 1 . . . . 357 LYS CA . 25182 1 384 . 1 1 85 85 LYS CB C 13 32.446 0.16 . 1 . . . . 357 LYS CB . 25182 1 385 . 1 1 85 85 LYS N N 15 124.207 0.03 . 1 . . . . 357 LYS N . 25182 1 386 . 1 1 86 86 PRO C C 13 176.519 0.16 . 1 . . . . 358 PRO C . 25182 1 387 . 1 1 86 86 PRO CA C 13 63.033 0.16 . 1 . . . . 358 PRO CA . 25182 1 388 . 1 1 86 86 PRO CB C 13 32.061 0.16 . 1 . . . . 358 PRO CB . 25182 1 389 . 1 1 87 87 ALA H H 1 8.333 0.001 . 1 . . . . 359 ALA H . 25182 1 390 . 1 1 87 87 ALA C C 13 177.329 0.16 . 1 . . . . 359 ALA C . 25182 1 391 . 1 1 87 87 ALA CA C 13 52.431 0.16 . 1 . . . . 359 ALA CA . 25182 1 392 . 1 1 87 87 ALA CB C 13 19.194 0.16 . 1 . . . . 359 ALA CB . 25182 1 393 . 1 1 87 87 ALA N N 15 124.287 0.03 . 1 . . . . 359 ALA N . 25182 1 394 . 1 1 88 88 PHE H H 1 8.042 0.001 . 1 . . . . 360 PHE H . 25182 1 395 . 1 1 88 88 PHE C C 13 175.434 0.16 . 1 . . . . 360 PHE C . 25182 1 396 . 1 1 88 88 PHE CA C 13 57.448 0.16 . 1 . . . . 360 PHE CA . 25182 1 397 . 1 1 88 88 PHE CB C 13 39.695 0.16 . 1 . . . . 360 PHE CB . 25182 1 398 . 1 1 88 88 PHE N N 15 118.762 0.03 . 1 . . . . 360 PHE N . 25182 1 399 . 1 1 89 89 SER H H 1 8.01 0.001 . 1 . . . . 361 SER H . 25182 1 400 . 1 1 89 89 SER C C 13 173.83 0.16 . 1 . . . . 361 SER C . 25182 1 401 . 1 1 89 89 SER CA C 13 57.753 0.16 . 1 . . . . 361 SER CA . 25182 1 402 . 1 1 89 89 SER CB C 13 63.68 0.16 . 1 . . . . 361 SER CB . 25182 1 403 . 1 1 89 89 SER N N 15 117.394 0.03 . 1 . . . . 361 SER N . 25182 1 404 . 1 1 90 90 PHE H H 1 8.159 0.001 . 1 . . . . 362 PHE H . 25182 1 405 . 1 1 90 90 PHE C C 13 176.151 0.16 . 1 . . . . 362 PHE C . 25182 1 406 . 1 1 90 90 PHE CA C 13 58.153 0.16 . 1 . . . . 362 PHE CA . 25182 1 407 . 1 1 90 90 PHE CB C 13 39.4 0.16 . 1 . . . . 362 PHE CB . 25182 1 408 . 1 1 90 90 PHE N N 15 122.362 0.03 . 1 . . . . 362 PHE N . 25182 1 409 . 1 1 91 91 GLY H H 1 8.287 0.001 . 1 . . . . 363 GLY H . 25182 1 410 . 1 1 91 91 GLY C C 13 173.648 0.16 . 1 . . . . 363 GLY C . 25182 1 411 . 1 1 91 91 GLY CA C 13 45.099 0.16 . 1 . . . . 363 GLY CA . 25182 1 412 . 1 1 91 91 GLY N N 15 110.495 0.03 . 1 . . . . 363 GLY N . 25182 1 413 . 1 1 92 92 ALA H H 1 8.059 0.001 . 1 . . . . 364 ALA H . 25182 1 414 . 1 1 92 92 ALA C C 13 177.804 0.16 . 1 . . . . 364 ALA C . 25182 1 415 . 1 1 92 92 ALA CA C 13 52.404 0.16 . 1 . . . . 364 ALA CA . 25182 1 416 . 1 1 92 92 ALA CB C 13 19.271 0.16 . 1 . . . . 364 ALA CB . 25182 1 417 . 1 1 92 92 ALA N N 15 123.868 0.03 . 1 . . . . 364 ALA N . 25182 1 418 . 1 1 93 93 LYS H H 1 8.341 0.001 . 1 . . . . 365 LYS H . 25182 1 419 . 1 1 93 93 LYS C C 13 176.804 0.16 . 1 . . . . 365 LYS C . 25182 1 420 . 1 1 93 93 LYS CA C 13 56.163 0.16 . 1 . . . . 365 LYS CA . 25182 1 421 . 1 1 93 93 LYS CB C 13 32.922 0.16 . 1 . . . . 365 LYS CB . 25182 1 422 . 1 1 93 93 LYS N N 15 120.789 0.03 . 1 . . . . 365 LYS N . 25182 1 423 . 1 1 94 94 SER H H 1 8.3109 0.001 . 1 . . . . 366 SER H . 25182 1 424 . 1 1 94 94 SER C C 13 174.3625 0.16 . 1 . . . . 366 SER C . 25182 1 425 . 1 1 94 94 SER CA C 13 58.4451 0.16 . 1 . . . . 366 SER CA . 25182 1 426 . 1 1 94 94 SER CB C 13 63.7764 0.16 . 1 . . . . 366 SER CB . 25182 1 427 . 1 1 94 94 SER N N 15 117.0404 0.03 . 1 . . . . 366 SER N . 25182 1 428 . 1 1 95 95 ASP H H 1 8.3658 0.001 . 1 . . . . 367 ASP H . 25182 1 429 . 1 1 95 95 ASP C C 13 176.1215 0.16 . 1 . . . . 367 ASP C . 25182 1 430 . 1 1 95 95 ASP CA C 13 54.266 0.16 . 1 . . . . 367 ASP CA . 25182 1 431 . 1 1 95 95 ASP CB C 13 40.9866 0.16 . 1 . . . . 367 ASP CB . 25182 1 432 . 1 1 95 95 ASP N N 15 122.3753 0.03 . 1 . . . . 367 ASP N . 25182 1 433 . 1 1 96 96 GLU H H 1 8.2215 0.001 . 1 . . . . 368 GLU H . 25182 1 434 . 1 1 96 96 GLU C C 13 176.4085 0.16 . 1 . . . . 368 GLU C . 25182 1 435 . 1 1 96 96 GLU CA C 13 56.5564 0.16 . 1 . . . . 368 GLU CA . 25182 1 436 . 1 1 96 96 GLU CB C 13 30.1881 0.16 . 1 . . . . 368 GLU CB . 25182 1 437 . 1 1 96 96 GLU N N 15 121.2016 0.03 . 1 . . . . 368 GLU N . 25182 1 438 . 1 1 97 97 LYS H H 1 8.3088 0.001 . 1 . . . . 369 LYS H . 25182 1 439 . 1 1 97 97 LYS C C 13 176.5828 0.16 . 1 . . . . 369 LYS C . 25182 1 440 . 1 1 97 97 LYS CA C 13 56.3034 0.16 . 1 . . . . 369 LYS CA . 25182 1 441 . 1 1 97 97 LYS CB C 13 32.6361 0.16 . 1 . . . . 369 LYS CB . 25182 1 442 . 1 1 97 97 LYS N N 15 122.4107 0.03 . 1 . . . . 369 LYS N . 25182 1 443 . 1 1 98 98 LYS H H 1 8.3424 0.001 . 1 . . . . 370 LYS H . 25182 1 444 . 1 1 98 98 LYS C C 13 176.3257 0.16 . 1 . . . . 370 LYS C . 25182 1 445 . 1 1 98 98 LYS CA C 13 56.1843 0.16 . 1 . . . . 370 LYS CA . 25182 1 446 . 1 1 98 98 LYS CB C 13 33.0393 0.16 . 1 . . . . 370 LYS CB . 25182 1 447 . 1 1 98 98 LYS N N 15 122.9404 0.03 . 1 . . . . 370 LYS N . 25182 1 448 . 1 1 99 99 ASP H H 1 8.3523 0.001 . 1 . . . . 371 ASP H . 25182 1 449 . 1 1 99 99 ASP C C 13 176.7228 0.16 . 1 . . . . 371 ASP C . 25182 1 450 . 1 1 99 99 ASP CA C 13 54.3912 0.16 . 1 . . . . 371 ASP CA . 25182 1 451 . 1 1 99 99 ASP CB C 13 41.0991 0.16 . 1 . . . . 371 ASP CB . 25182 1 452 . 1 1 99 99 ASP N N 15 121.3733 0.03 . 1 . . . . 371 ASP N . 25182 1 453 . 1 1 100 100 GLY H H 1 8.3009 0.001 . 1 . . . . 372 GLY H . 25182 1 454 . 1 1 100 100 GLY C C 13 174.0672 0.16 . 1 . . . . 372 GLY C . 25182 1 455 . 1 1 100 100 GLY CA C 13 45.4606 0.16 . 1 . . . . 372 GLY CA . 25182 1 456 . 1 1 100 100 GLY N N 15 109.3464 0.03 . 1 . . . . 372 GLY N . 25182 1 457 . 1 1 101 101 ASP H H 1 8.2052 0.001 . 1 . . . . 373 ASP H . 25182 1 458 . 1 1 101 101 ASP C C 13 176.3056 0.16 . 1 . . . . 373 ASP C . 25182 1 459 . 1 1 101 101 ASP CA C 13 54.3544 0.16 . 1 . . . . 373 ASP CA . 25182 1 460 . 1 1 101 101 ASP CB C 13 41.174 0.16 . 1 . . . . 373 ASP CB . 25182 1 461 . 1 1 101 101 ASP N N 15 120.7248 0.03 . 1 . . . . 373 ASP N . 25182 1 462 . 1 1 102 102 ALA H H 1 8.2563 0.001 . 1 . . . . 374 ALA H . 25182 1 463 . 1 1 102 102 ALA C C 13 177.8024 0.16 . 1 . . . . 374 ALA C . 25182 1 464 . 1 1 102 102 ALA CA C 13 52.755 0.16 . 1 . . . . 374 ALA CA . 25182 1 465 . 1 1 102 102 ALA CB C 13 18.9955 0.16 . 1 . . . . 374 ALA CB . 25182 1 466 . 1 1 102 102 ALA N N 15 124.6578 0.03 . 1 . . . . 374 ALA N . 25182 1 467 . 1 1 103 103 SER H H 1 8.2352 0.001 . 1 . . . . 375 SER H . 25182 1 468 . 1 1 103 103 SER C C 13 174.1022 0.16 . 1 . . . . 375 SER C . 25182 1 469 . 1 1 103 103 SER CA C 13 58.5839 0.16 . 1 . . . . 375 SER CA . 25182 1 470 . 1 1 103 103 SER CB C 13 63.8107 0.16 . 1 . . . . 375 SER CB . 25182 1 471 . 1 1 103 103 SER N N 15 114.7171 0.03 . 1 . . . . 375 SER N . 25182 1 472 . 1 1 104 104 LYS H H 1 8.0249 0.001 . 1 . . . . 376 LYS H . 25182 1 473 . 1 1 104 104 LYS C C 13 174.2297 0.16 . 1 . . . . 376 LYS C . 25182 1 474 . 1 1 104 104 LYS CA C 13 54.3312 0.16 . 1 . . . . 376 LYS CA . 25182 1 475 . 1 1 104 104 LYS CB C 13 32.4678 0.16 . 1 . . . . 376 LYS CB . 25182 1 476 . 1 1 104 104 LYS N N 15 123.8774 0.03 . 1 . . . . 376 LYS N . 25182 1 477 . 1 1 105 105 PRO C C 13 176.519 0.16 . 1 . . . . 377 PRO C . 25182 1 478 . 1 1 105 105 PRO CA C 13 63.033 0.16 . 1 . . . . 377 PRO CA . 25182 1 479 . 1 1 105 105 PRO CB C 13 32.061 0.16 . 1 . . . . 377 PRO CB . 25182 1 480 . 1 1 106 106 ALA H H 1 8.333 0.001 . 1 . . . . 378 ALA H . 25182 1 481 . 1 1 106 106 ALA C C 13 177.329 0.16 . 1 . . . . 378 ALA C . 25182 1 482 . 1 1 106 106 ALA CA C 13 52.431 0.16 . 1 . . . . 378 ALA CA . 25182 1 483 . 1 1 106 106 ALA CB C 13 19.194 0.16 . 1 . . . . 378 ALA CB . 25182 1 484 . 1 1 106 106 ALA N N 15 124.287 0.03 . 1 . . . . 378 ALA N . 25182 1 485 . 1 1 107 107 PHE H H 1 8.042 0.001 . 1 . . . . 379 PHE H . 25182 1 486 . 1 1 107 107 PHE C C 13 175.434 0.16 . 1 . . . . 379 PHE C . 25182 1 487 . 1 1 107 107 PHE CA C 13 57.448 0.16 . 1 . . . . 379 PHE CA . 25182 1 488 . 1 1 107 107 PHE CB C 13 39.695 0.16 . 1 . . . . 379 PHE CB . 25182 1 489 . 1 1 107 107 PHE N N 15 118.762 0.03 . 1 . . . . 379 PHE N . 25182 1 490 . 1 1 108 108 SER H H 1 8.01 0.001 . 1 . . . . 380 SER H . 25182 1 491 . 1 1 108 108 SER C C 13 173.83 0.16 . 1 . . . . 380 SER C . 25182 1 492 . 1 1 108 108 SER CA C 13 57.753 0.16 . 1 . . . . 380 SER CA . 25182 1 493 . 1 1 108 108 SER CB C 13 63.68 0.16 . 1 . . . . 380 SER CB . 25182 1 494 . 1 1 108 108 SER N N 15 117.394 0.03 . 1 . . . . 380 SER N . 25182 1 495 . 1 1 109 109 PHE H H 1 8.159 0.001 . 1 . . . . 381 PHE H . 25182 1 496 . 1 1 109 109 PHE C C 13 176.151 0.16 . 1 . . . . 381 PHE C . 25182 1 497 . 1 1 109 109 PHE CA C 13 58.153 0.16 . 1 . . . . 381 PHE CA . 25182 1 498 . 1 1 109 109 PHE CB C 13 39.4 0.16 . 1 . . . . 381 PHE CB . 25182 1 499 . 1 1 109 109 PHE N N 15 122.362 0.03 . 1 . . . . 381 PHE N . 25182 1 500 . 1 1 110 110 GLY H H 1 8.287 0.001 . 1 . . . . 382 GLY H . 25182 1 501 . 1 1 110 110 GLY C C 13 173.465 0.16 . 1 . . . . 382 GLY C . 25182 1 502 . 1 1 110 110 GLY CA C 13 45.028 0.16 . 1 . . . . 382 GLY CA . 25182 1 503 . 1 1 110 110 GLY N N 15 110.495 0.03 . 1 . . . . 382 GLY N . 25182 1 504 . 1 1 111 111 ALA H H 1 7.997 0.001 . 1 . . . . 383 ALA H . 25182 1 505 . 1 1 111 111 ALA C C 13 177.384 0.16 . 1 . . . . 383 ALA C . 25182 1 506 . 1 1 111 111 ALA CA C 13 52.155 0.16 . 1 . . . . 383 ALA CA . 25182 1 507 . 1 1 111 111 ALA CB C 13 19.467 0.16 . 1 . . . . 383 ALA CB . 25182 1 508 . 1 1 111 111 ALA N N 15 123.72 0.03 . 1 . . . . 383 ALA N . 25182 1 509 . 1 1 112 112 LYS H H 1 8.318 0.001 . 1 . . . . 384 LYS H . 25182 1 510 . 1 1 112 112 LYS C C 13 174.75 0.16 . 1 . . . . 384 LYS C . 25182 1 511 . 1 1 112 112 LYS CA C 13 54.147 0.16 . 1 . . . . 384 LYS CA . 25182 1 512 . 1 1 112 112 LYS CB C 13 32.55 0.16 . 1 . . . . 384 LYS CB . 25182 1 513 . 1 1 112 112 LYS N N 15 122.092 0.03 . 1 . . . . 384 LYS N . 25182 1 514 . 1 1 113 113 PRO C C 13 176.635 0.16 . 1 . . . . 385 PRO C . 25182 1 515 . 1 1 113 113 PRO CA C 13 63.412 0.16 . 1 . . . . 385 PRO CA . 25182 1 516 . 1 1 113 113 PRO CB C 13 32.0316 0.16 . 1 . . . . 385 PRO CB . 25182 1 517 . 1 1 114 114 ASP H H 1 8.3771 0.001 . 1 . . . . 386 ASP H . 25182 1 518 . 1 1 114 114 ASP C C 13 176.4515 0.16 . 1 . . . . 386 ASP C . 25182 1 519 . 1 1 114 114 ASP CA C 13 54.3558 0.16 . 1 . . . . 386 ASP CA . 25182 1 520 . 1 1 114 114 ASP CB C 13 41.0548 0.16 . 1 . . . . 386 ASP CB . 25182 1 521 . 1 1 114 114 ASP N N 15 119.9768 0.03 . 1 . . . . 386 ASP N . 25182 1 522 . 1 1 115 115 GLU H H 1 8.2972 0.001 . 1 . . . . 387 GLU H . 25182 1 523 . 1 1 115 115 GLU C C 13 176.4137 0.16 . 1 . . . . 387 GLU C . 25182 1 524 . 1 1 115 115 GLU CA C 13 57.041 0.16 . 1 . . . . 387 GLU CA . 25182 1 525 . 1 1 115 115 GLU CB C 13 29.9635 0.16 . 1 . . . . 387 GLU CB . 25182 1 526 . 1 1 115 115 GLU N N 15 121.0524 0.03 . 1 . . . . 387 GLU N . 25182 1 527 . 1 1 116 116 ASN H H 1 8.3959 0.001 . 1 . . . . 388 ASN H . 25182 1 528 . 1 1 116 116 ASN C C 13 175.3195 0.16 . 1 . . . . 388 ASN C . 25182 1 529 . 1 1 116 116 ASN CA C 13 53.4006 0.16 . 1 . . . . 388 ASN CA . 25182 1 530 . 1 1 116 116 ASN CB C 13 38.5962 0.16 . 1 . . . . 388 ASN CB . 25182 1 531 . 1 1 116 116 ASN N N 15 119.182 0.03 . 1 . . . . 388 ASN N . 25182 1 532 . 1 1 117 117 LYS H H 1 8.1456 0.001 . 1 . . . . 389 LYS H . 25182 1 533 . 1 1 117 117 LYS N N 15 121.8383 0.03 . 1 . . . . 389 LYS N . 25182 1 534 . 1 1 118 118 ALA C C 13 177.8693 0.16 . 1 . . . . 390 ALA C . 25182 1 535 . 1 1 118 118 ALA CA C 13 52.7166 0.16 . 1 . . . . 390 ALA CA . 25182 1 536 . 1 1 118 118 ALA CB C 13 19.0798 0.16 . 1 . . . . 390 ALA CB . 25182 1 537 . 1 1 119 119 SER H H 1 8.1803 0.001 . 1 . . . . 391 SER H . 25182 1 538 . 1 1 119 119 SER C C 13 174.5254 0.16 . 1 . . . . 391 SER C . 25182 1 539 . 1 1 119 119 SER CA C 13 58.2412 0.16 . 1 . . . . 391 SER CA . 25182 1 540 . 1 1 119 119 SER CB C 13 63.8424 0.16 . 1 . . . . 391 SER CB . 25182 1 541 . 1 1 119 119 SER N N 15 114.8774 0.03 . 1 . . . . 391 SER N . 25182 1 542 . 1 1 120 120 ALA H H 1 8.3087 0.001 . 1 . . . . 392 ALA H . 25182 1 543 . 1 1 120 120 ALA C C 13 177.9284 0.16 . 1 . . . . 392 ALA C . 25182 1 544 . 1 1 120 120 ALA CA C 13 52.7698 0.16 . 1 . . . . 392 ALA CA . 25182 1 545 . 1 1 120 120 ALA CB C 13 19.2826 0.16 . 1 . . . . 392 ALA CB . 25182 1 546 . 1 1 120 120 ALA N N 15 125.9612 0.03 . 1 . . . . 392 ALA N . 25182 1 547 . 1 1 121 121 THR H H 1 8.0536 0.001 . 1 . . . . 393 THR H . 25182 1 548 . 1 1 121 121 THR C C 13 174.5272 0.16 . 1 . . . . 393 THR C . 25182 1 549 . 1 1 121 121 THR CA C 13 61.6475 0.16 . 1 . . . . 393 THR CA . 25182 1 550 . 1 1 121 121 THR CB C 13 69.7555 0.16 . 1 . . . . 393 THR CB . 25182 1 551 . 1 1 121 121 THR N N 15 112.3045 0.03 . 1 . . . . 393 THR N . 25182 1 552 . 1 1 122 122 SER H H 1 8.1725 0.001 . 1 . . . . 394 SER H . 25182 1 553 . 1 1 122 122 SER C C 13 173.8283 0.16 . 1 . . . . 394 SER C . 25182 1 554 . 1 1 122 122 SER CA C 13 58.1752 0.16 . 1 . . . . 394 SER CA . 25182 1 555 . 1 1 122 122 SER CB C 13 63.8929 0.16 . 1 . . . . 394 SER CB . 25182 1 556 . 1 1 122 122 SER N N 15 118.3313 0.03 . 1 . . . . 394 SER N . 25182 1 557 . 1 1 123 123 LYS H H 1 8.2584 0.001 . 1 . . . . 395 LYS H . 25182 1 558 . 1 1 123 123 LYS C C 13 174.2996 0.16 . 1 . . . . 395 LYS C . 25182 1 559 . 1 1 123 123 LYS CA C 13 54.1168 0.16 . 1 . . . . 395 LYS CA . 25182 1 560 . 1 1 123 123 LYS CB C 13 32.597 0.16 . 1 . . . . 395 LYS CB . 25182 1 561 . 1 1 123 123 LYS N N 15 124.3893 0.03 . 1 . . . . 395 LYS N . 25182 1 562 . 1 1 124 124 PRO C C 13 175.6778 0.16 . 1 . . . . 396 PRO C . 25182 1 563 . 1 1 124 124 PRO CA C 13 63.3643 0.16 . 1 . . . . 396 PRO CA . 25182 1 564 . 1 1 124 124 PRO CB C 13 31.9675 0.16 . 1 . . . . 396 PRO CB . 25182 1 565 . 1 1 125 125 ALA H H 1 7.9681 0.001 . 1 . . . . 397 ALA H . 25182 1 566 . 1 1 125 125 ALA CA C 13 53.7886 0.16 . 1 . . . . 397 ALA CA . 25182 1 567 . 1 1 125 125 ALA CB C 13 20.021 0.16 . 1 . . . . 397 ALA CB . 25182 1 568 . 1 1 125 125 ALA N N 15 130.0484 0.03 . 1 . . . . 397 ALA N . 25182 1 stop_ save_